⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3539095 | 0.63 | HDAC4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL26646346 | 0.58 | — | — | |
| SCHEMBL28910329 | 0.56 | — | — | |
| SCHEMBL25436754 | 0.56 | — | — | |
| SCHEMBL28188641 | 0.56 | — | — | |
| SCHEMBL2724301 | 0.56 | — | — | |
| SCHEMBL8477644 | 0.54 | — | — | |
| SCHEMBL31214642 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL31315859 | 0.53 | — | — | |
| SCHEMBL27780570 | 0.53 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101139340-A | N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines | BAYER CROPSCIENCE AG (US) | 2008-03-12 | — | — | CN | disclosed |